4,5,6,7-Tetrahydro-4-oxothionaphthene (HCID 83418)

이름 및 식별자

우선 이름: 4,5,6,7-Tetrahydro-4-oxothionaphthene
IUPAC: 6,7-dihydro-5H-1-benzothiophen-4-one
영어명: 4-Keto-4,5,6,7-tetrahydrothianaphthene
분자식: C8H8OS
분자량: 152.21

이름 및 동의어

13414-95-46,7-Dihydrobenzo[b]thiophen-4(5H)-oneBenzo[b]thiophen-4(5H)-one, 6,7-dihydro-4-Oxo-4,5,6,7-tetrahydrobenzo[b]thiopheneTA3LE3X96K4,5,6,7-Tetrahydro-4-oxothionaphthene6,7-Dihydrobenzo(b)thiophen-4(5H)-oneBenzo(b)thiophen-4(5H)-one, 6,7-dihydro-NSC-990024-Oxo-4,5,6,7-tetrahydrobenzo(b)thiopheneDTXSID4065440RefChem:198489

이름 더 보기

AKOS 922152H-thiochroMeneAKOS BBS-00000945RARECHEM AK MA K0036,7-Dihydrobenzothiophen-4-one6,7-DIHYDRO-4-BENZO(B)THIOPHENETETRAHYDROBENZO(B)THIOPHEN-4-ONE4-Oxotetrahydrobenzo(b)thiophene

DTXCID50341916,7-Dihydro-4-benzo[b]thiophenone6,7-dihydro-5H-benzo[b]thiophen-4-one4-Keto-4,5,6,7-tetrahydrothianaphthene6,7-dihydro-5H-1-benzothiophen-4-oneMFCD000058616,7-Dihydro-1-benzothiophen-4(5H)-one6,7-Dihydrobenzo[b]thiophen-4-one

데이터베이스 식별자

CAS: 13414-95-4
PubChem CID: 83418
DTXSID: DTXSID4065440
UNII: TA3LE3X96K
EC Number: 236-510-7
Nikkaji: J317.869B

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 45.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 155

물리화학적 성질

녹는점: 38 · 38-40 °C(lit.)
끓는 점: 120 °C · 120 °C (10 mmHg)
밀도: 1.245 · 1.245±0.06 g/cm3(Predicted)
굴절률: 1.5895 · 1.5895-1.5915
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름에 용해됩니다.
물리적 상태: 40 °C · 40°C Liquid
색상: 흰색에서 노란색으로
BRN: 112276 · 112276
InChI: InChI=1S/C8H8OS/c9-7-2-1-3-8-6(7)4-5-10-8/h4-5H,1-3H2
InChIKey: GJEKNELSXNSYAQ-UHFFFAOYSA-N
SMILES: S1C2=C(C(=O)CCC2)C=C1
EPA: -4 · Benzo[b]thiophen-4(5H)-one, 6,7-dihydro- (13414-95-4)

화학적 성질

white to yellow low melting solid or liquid after

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29349990
risk_code: 22
hazard_code: Xn
safety_code: 22-24/25-36/37/39-26
위험 등급: IRRITANT
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzo[b]thiophen-4(5H)-one, 6,7-dihydro-: INACTIVE

응용 분야

용도It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuffs and is also used in medicine.